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rLAMMPS lammps
improper_style_hybrid.html
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<HTML>
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
</CENTER>
<HR>
<H3>improper_style hybrid command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>improper_style hybrid style1 style2 ...
</PRE>
<UL><LI>style1,style2 = list of one or more improper styles
</UL>
<P><B>Examples:</B>
</P>
<PRE>improper_style hybrid harmonic helix
improper_coeff 1 harmonic 120.0 30
improper_coeff 2 cvff 20.0 -1 2
</PRE>
<P><B>Description:</B>
</P>
<P>The <I>hybrid</I> style enables the use of multiple improper styles in one
simulation. An improper style is assigned to each improper type. For
example, impropers in a polymer flow (of improper type 1) could be
computed with a <I>harmonic</I> potential and impropers in the wall
boundary (of improper type 2) could be computed with a <I>cvff</I>
potential. The assignment of improper type to style is made via the
<A HREF = "improper_coeff.html">improper_coeff</A> command or in the data file.
</P>
<P>In the improper_coeff command, the first coefficient sets the improper
style and the remaining coefficients are those appropriate to that
style. In the example above, the 2 improper_coeff commands would set
impropers of improper type 1 to be computed with a <I>harmonic</I>
potential with coefficients 120.0, 30 for K, X0. Improper type 2
would be computed with a <I>cvff</I> potential with coefficients 20.0, -1,
2 for K, d, n.
</P>
<P><B>Restrictions:</B>
</P>
<P>Improper styles can only be set for atom styles that allow impropers to be
defined.
</P>
<P>This improper style is part of the "molecular" package. It is only
enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_2">Making
LAMMPS</A> section for more info.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "improper_coeff.html">improper_coeff</A>
</P>
<P><B>Default:</B> none
</P>
</HTML>
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